ethyl 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]benzofuran-2-carboxylate CAS Name: 3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(4-phenylpiperazin-1-ium-1-yl)methyl]coumarilic acid ethyl ester Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N2O3/c1-2-26-22(25)21-19(18-10-6-7-11-20(18)27-21)16-23-12-14-24(15-13-23)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3/p+1